Geometry & MOs

Info

ID:	348957
PubChem CID:	127274683
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-102.43
Dipole, Da:	2.36
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[1-[(2,3-dimethylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations